Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | P2RY12 | Q9H244 | 13/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15350755 | 0.98 | CYP2C9 (0.48) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL15351363 | 0.88 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL31719406 | 0.87 | DPP4 (0.50) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL20703488 | 0.85 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1MAPK1CA12 | |
| Hydrochloric Acid SCHEMBL15350212 | 0.85 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL337203 | 0.83 | ALDH1A1 (0.61) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL31050105 | 0.83 | ALDH1A1 (0.61) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL15351663 | 0.81 | CYP2C9 (0.51) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 | |
| SCHEMBL31719401 | 0.81 | P2RY12 (0.44) | CYP2C9CYP2C19P2RY12 | |
| SCHEMBL5320922 | 0.80 | CYP2C9 (0.50) | CYP2C9CYP2C19ALDH1A1MAPK1TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |